Aberchrome 670

• CAS: 94856-25-4
• Catalog Number: ACM94856254
• Category: Heterocyclic Organic Compound
• Molecular Weight: 352.4g/mol
• Molecular Formula: C22H24O4
• Synonyms: 2-(2-ADAMANTYLIDENE)-3-[1-(2,5-DIMETHYL-3-FURANYL)ETHYLIDENE]-SUCCINANHYDRIDE;ABERCHROME 670;(3E)-3-[1-(2,5-Dimethyl-3-furanyl)ethylidene]dihydro-4-tricyclo[3.3.1.1(3,7)]decylidene-2,5-furandione
• IUPAC Name: (4E)-3-(2-adamantylidene)-4-[1-(2,5-dimethylfuran-3-yl)ethylidene]oxolane-2,5-dione
• Canonical SMILES: CC1=CC(=C(O1)C)C(=C2C(=C3C4CC5CC(C4)CC3C5)C(=O)OC2=O)C
• InChI: InChI=1S/C22H24O4/c1-10-4-17(12(3)25-10)11(2)18-20(22(24)26-21(18)23)19-15-6-13-5-14(8-15)9-16(19)7-13/h4,13-16H,5-9H2,1-3H3/b18-11+,20-19?
• InChI Key: OOVNPWVABCFZRY-HJJJESHSSA-N
• Melting Point: 175-185°C
• Complexity: 713
• Covalently-Bonded Unit Count: 1
• Exact Mass: 352.167459g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 26
• Monoisotopic Mass: 352.167459g/mol
• Rotatable Bond Count: 1
• XLogP3: 4.9

Custom Q&A

What is the molecular formula of Aberchrome 670?

The molecular formula of Aberchrome 670 is C22H24O4.

What is the molecular weight of Aberchrome 670?

The molecular weight of Aberchrome 670 is 352.4 g/mol.

When was Aberchrome 670 created and last modified?

Aberchrome 670 was created on February 15, 2007, and last modified on December 30, 2023.

What is the IUPAC name of Aberchrome 670?

The IUPAC name of Aberchrome 670 is (4E)-3-(2-adamantylidene)-4-[1-(2,5-dimethylfuran-3-yl)ethylidene]oxolane-2,5-dione.

What is the InChI key for Aberchrome 670?

The InChI key for Aberchrome 670 is OOVNPWVABCFZRY-HJJJESHSSA-N.

How many hydrogen bond acceptors does Aberchrome 670 have?

Aberchrome 670 has 4 hydrogen bond acceptors.

What is the topological polar surface area of Aberchrome 670?

The topological polar surface area of Aberchrome 670 is 56.5 Å2.

How many rotatable bond counts does Aberchrome 670 have?

Aberchrome 670 has 1 rotatable bond count.

Is Aberchrome 670 a canonicalized compound?

Yes, Aberchrome 670 is a canonicalized compound.

How many covalently-bonded unit counts does Aberchrome 670 have?

Aberchrome 670 has a covalently-bonded unit count of 1.